SCHEMBL7335996

SCHEMBL7335996

CCCC[C@H](NC(=O)C(CC(C)C)NC(=O)OCC1CCCCC1)C(O)c1cc1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
REN P00797 4/20 0.46
CTSL P07711 5/20 0.46
PSEN1 P49768 6/20 0.43
PSEN2 P49810 6/20 0.43
APH1B Q8WW43 6/20 0.43
NCSTN Q92542 6/20 0.43
APH1A Q96BI3 6/20 0.43
PSENEN Q9NZ42 6/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7335989 1.00 CTSK (0.47) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7334877 0.87 CTSK (0.47) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7334867 0.87 CTSK (0.47) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7342199 0.84 CTSK (0.45) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7342190 0.84 CTSK (0.45) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7344926 0.84 REN (0.51) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7344914 0.84 REN (0.51) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7344682 0.84 CTSK (0.48) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7344674 0.84 CTSK (0.48) CTSKRENCTSLPSEN1PSEN2
SCHEMBL7342219 0.81 REN (0.44) CTSKRENCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed